UCSF

ZINC56997794

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2011 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 4.25 -11.76 2 7 0 74 418.444 7
Hi High (pH 8-9.5) 2.34 3.46 -39.89 1 7 -1 80 417.436 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )